piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone

C17H16F3NO2 — CID 177314079

IUPACpiperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(OC(F)(F)F)ccc2c1)C1CCCNC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-15-6-5-11-8-13(4-3-12(11)9-15)16(22)14-2-1-7-21-10-14/h3-6,8-9,14,21H,1-2,7,10H2
InChIKeyJWUMULPEGIVPSP-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.92
Rot. Bonds3

About piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone

piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone (PubChem CID 177314079) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
PubChem CID177314079
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Namepiperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
SMILESO=C(c1ccc2cc(OC(F)(F)F)ccc2c1)C1CCCNC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-15-6-5-11-8-13(4-3-12(11)9-15)16(22)14-2-1-7-21-10-14/h3-6,8-9,14,21H,1-2,7,10H2
InChIKeyJWUMULPEGIVPSP-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
tert-butyl formate;piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 174725134
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone?
The IUPAC name of piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone (CID 177314079) is piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone.
What is the SMILES notation for piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone?
The canonical SMILES for piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone is O=C(c1ccc2cc(OC(F)(F)F)ccc2c1)C1CCCNC1.
What is the InChIKey of piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone?
The InChIKey is JWUMULPEGIVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)23-15-6-5-11-8-13(4-3-12(11)9-15)16(22)14-2-1-7-21-10-14/h3-6,8-9,14,21H,1-2,7,10H2.
What are the key properties of piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone?
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone has a molecular weight of 323.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone is sourced from PubChem (CID 177314079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).